conquest/pseudo-and-pao/GTH_PBE/In_q3/Conquest_ion_input

15 lines
221 B
Plaintext

General.NumberOfSpecies 1
General.PSFormat hgh
General.KBThresh 1e-5
%block SpeciesLabels
1 In
%endblock
%block In
Atom.PseudopotentialFile In.hgh
Atom.ZetaForm com
Atom.dE_small_radius 0.004
Atom.Cutoffs en
%endblock